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Information card for entry 7038640
Preview
| Coordinates | 7038640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 15137 |
|---|---|
| Formula | C70 H58 Hf N4 Ni P4 |
| Calculated formula | C70 H58 Hf N4 Ni P4 |
| SMILES | [Hf]1234([Ni]([P](c5n2ccc5)(c2ccccc2)c2ccccc2)([P](c2n3ccc2)(c2ccccc2)c2ccccc2)[P](c2n4ccc2)(c2ccccc2)c2ccccc2)[P](c2n1ccc2)(c1ccccc1)c1ccccc1.c1ccccc1 |
| Title of publication | Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands. |
| Authors of publication | Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 24 |
| Pages of publication | 9892 - 9901 |
| a | 11.2134 ± 0.0003 Å |
| b | 23.6739 ± 0.0005 Å |
| c | 22.8293 ± 0.0005 Å |
| α | 90° |
| β | 103.826 ± 0.001° |
| γ | 90° |
| Cell volume | 5884.8 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7038640.cif |
| 185386 | 2016-08-07 | cif/ Updating files of 7038637, 7038638, 7038639, 7038640, 7038641, 7038642, 7038643 Original log message: Adding full bibliography for 7038637--7038643.cif. |
7038640.cif |
| 177116 | 2016-03-02 | cif/ Adding structures of 7038637, 7038638, 7038639, 7038640, 7038641, 7038642, 7038643 via cif-deposit CGI script. |
7038640.cif |
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Users of the data should acknowledge the original authors of the
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